| First-principles calculations to investigate structural, electronics, optical and elastic properties of Sn-based inorganic Halide-perovskites CsSnX3 (X= I, Br, Cl) for solar … JU Rehman, M Usman, S Amjid, M Sagir, MB Tahir, A Hussain, I Alam, ... Computational and Theoretical Chemistry 1209, 113624, 2022 | 89 | 2022 |
| Structural, electronics, magnetic, optical, mechanical and hydrogen storage properties of Ga‐based hydride‐perovskites XGaH3 (X = K, Li) M Usman, J ur Rehman, MB Tahir, A Hussain International Journal of Energy Research, 2022 | 76 | 2022 |
| First-principles calculations to investigate ultra-wide bandgap semiconductor behavior of NaMgF3 fluoro-perovskite with external static isotropic pressure and its impact on … JU Rehman, M Usman, MB Tahir, A Hussain, MA Rehman, M Sagir, ... Optik 252, 168532, 2022 | 49 | 2022 |
| Structural, electronics and optical properties of sodium based fluoroperovskites NaXF3 (X= Ca, Mg, Sr and Zn): First principles calculations MR Kabli, J Ur Rehman, MB Tahir, M Usman, AM Ali, K Shahzad Physics Letters A 412, 127574, 2021 | 48 | 2021 |
| A first-principles study to investigate the physical properties of Sn-based hydride perovskites XSnH3 (X= K, Li) for hydrogen storage application M Tahir, M Usman, JU Rehman, MB Tahir International Journal of Hydrogen Energy 50, 845-853, 2024 | 46 | 2024 |
| Investigation of Structural, Electronics, Optical, Mechanical and Thermodynamic Properties of YRu2P2 Compound for Superconducting Application JU Rehman, M Usman, MB Tahir, A Hussain, M Rashid Journal of Superconductivity and Novel Magnetism 34, 3089-3097, 2021 | 40 | 2021 |
| First-principles calculations to investigate structural, electronic and optical properties of Na based fluoroperovskites NaXF3 (X= Sr, Zn) J ur Rehman, M Usman, MB Tahir, A Hussain, MA Rehman, N Ahmad, ... Solid State Communications 334, 114396, 2021 | 39 | 2021 |
| Electronic and optical properties of nitrogen and sulfur doped strontium titanate as efficient photocatalyst for water splitting: A DFT study JU Rehman, MA Rehman, MB Tahir, A Hussain, T Iqbal, M Sagir, ... International Journal of Hydrogen Energy 47 (3), 1605-1612, 2022 | 38 | 2022 |
| First-principles calculations to investigate variation in the bandgap of NaSrF3 Fluoro-Perovskite with external static isotropic pressure and its Impact on optical properties M Usman, JU Rehman, MB Tahir, A Hussain, M Sagir, MA Assiri, M Imran, ... Computational and Theoretical Chemistry 1214, 113766, 2022 | 33 | 2022 |
| Structural, mechanical, thermodynamic, electronic, magnetic and optical properties of ZnFe2O4 ferrite: A DFT study S Noreen, A Hussain, MB Tahir, AB Ziya, JU Rehman, M Usman, SA Khan, ... Optical Materials 133, 112930, 2022 | 31 | 2022 |
| Investigation of structural, electronic, mechanical, optical and hydrogen storage properties of cobalt-based hydride-perovskites XCoH3 (X= In, Mn, Sr, Sn, Cd) for hydrogen … A Rafique, M Usman, JU Rehman, A Nazeer, H Ullah, A Hussain Journal of Physics and Chemistry of Solids 181, 111559, 2023 | 29 | 2023 |
| First-principles calculations to investigate the effect of Cs-doping in BaTiO3 for water-splitting application M Usman, JU Rehman, MB Tahir, A Hussain Solid State Communications 355, 114920, 2022 | 27 | 2022 |
| First-principles calculations to investigate structural, electronics, optical, and mechanical properties of Bi-based novel fluoroperovskites TBiF3 (T= Hg, Xe) for … M Usman, J ur Rehman, MB Tahir, A Hussain, H Alrobei, M Alzaid, ... Materials Science in Semiconductor Processing 160, 107399, 2023 | 25 | 2023 |
| A DFT study for physical properties and hydrogen storage capability of indium-based hydride perovskites XInH3 (X= Li, K) for hydrogen storage application SM Deen, M Usman, JU Rehman, SM Ali, M Ali Solid State Communications, 115488, 2024 | 19 | 2024 |
| A DFT study to investigate physical properties and hydrogen storage capability of Mn-based hydride perovskites XMnH3 (X= Ba, Ca) for hydrogen storage application N Ghaffar, M Usman, JU Rehman, A Hussain, SM Ali, M Ali Inorganic Chemistry Communications, 112167, 2024 | 19 | 2024 |
| First-principles calculations to investigate structural, electronics, optical and mechanical properties of LaRu2P2 compound for superconducting application JU Rehman, MA Rehman, M Usman, MB Tahir, A Hussain, K Shahzad, ... Molecular Simulation 49 (1), 76-84, 2023 | 18 | 2023 |
| A DFT study to investigate structural, electronic, optical, mechanical and magnetic properties of NaGeBr3 for photovoltaic and optoelectronic applications JU Rehman, MA Rehman, M Usman, MB Tahir, A Hussain, M Zulfiqar, ... Emergent Materials, 1-11, 2023 | 17 | 2023 |
| Computational exploration of oxide-based double perovskites Sr2MgWO6 and Ba2BiVO6 for photocatalysts for sustainable degradation processes A Mera, MA Rehman, Z ur Rehman, U Farrukh, M Usman, A Rehman Inorganic Chemistry Communications, 112259, 2024 | 13 | 2024 |
| First-principles calculations to investigate effect of pressure on physical properties of LiNbO3 perovskite for photocatalytic application S Ahmad, JU Rehman, M Usman, SM Ali, M Ali Computational and Theoretical Chemistry 1230, 114354, 2023 | 13 | 2023 |
| Screening of ABF3 fluoroperovskites by using first-principles calculations M Usman, J ur Rehman, MB Tahir Solid State Communications 369, 115198, 2023 | 13 | 2023 |
Dr. Jalil Ur RehmanKFUEIT,RYKAdresse e-mail validée de kfueit.edu.pk
